4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide

C15H13FN2OS — CID 63244383

IUPAC4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESNCC#Cc1ccc(C(=O)NCc2ccsc2)cc1F
InChIInChI=1S/C15H13FN2OS/c16-14-8-13(4-3-12(14)2-1-6-17)15(19)18-9-11-5-7-20-10-11/h3-5,7-8,10H,6,9,17H2,(H,18,19)
InChIKeyGYIONAWNJBSRCZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.13
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 63244383) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID63244383
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESNCC#Cc1ccc(C(=O)NCc2ccsc2)cc1F
InChIInChI=1S/C15H13FN2OS/c16-14-8-13(4-3-12(14)2-1-6-17)15(19)18-9-11-5-7-20-10-11/h3-5,7-8,10H,6,9,17H2,(H,18,19)
InChIKeyGYIONAWNJBSRCZ-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244337
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244733
4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376185
4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63247780
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
3-(3-aminoprop-1-ynyl)-N-benzyl-4-methylbenzamide
CID 81458811
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-chloro-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 82781557
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydroxybenzamide
CID 107728882
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide (CID 63244383) is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide is NCC#Cc1ccc(C(=O)NCc2ccsc2)cc1F.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is GYIONAWNJBSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-14-8-13(4-3-12(14)2-1-6-17)15(19)18-9-11-5-7-20-10-11/h3-5,7-8,10H,6,9,17H2,(H,18,19).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide?
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 63244383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).